REMARK  Name = BDB056186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.212  -0.957   0.213  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.351   0.121  -0.314  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.147  -0.205  -1.740  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.888  -1.474  -1.848  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.657  -2.365  -0.698  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.806  -2.328  -0.193  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.413  -0.510   0.569  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.729  -1.486   1.294  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.342  -1.613   1.163  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.597  -0.786   0.304  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.309   0.178  -0.425  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.699   0.316  -0.302  0.00  0.00    +0.015 A 
BRANCH   7  15
ATOM     13  N   LIG    1        7.434   0.850   0.515  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        6.805   1.641   0.559  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        6.889  -0.401   0.732  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        7.546  -1.378   1.073  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1        9.309   2.387   0.174  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        8.831   1.094   0.806  0.00  0.00    +0.101 C 
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1       -2.285  -1.362  -2.270  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.234  -0.675  -1.307  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -3.460   0.711  -1.387  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1       -4.325   1.356  -0.494  0.00  0.00    +0.164 A 
ATOM     23  C   LIG    1       -4.992   0.599   0.482  0.00  0.00    +0.184 A 
ATOM     24  O   LIG    1       -5.802   1.274   1.361  0.00  0.00    -0.474 OA
ATOM     25  C   LIG    1       -6.696   0.471   2.123  0.00  0.00    +0.256 C 
ATOM     26  C   LIG    1       -6.321  -0.988   2.405  0.00  0.00    +0.258 C 
ATOM     27  N   LIG    1       -5.420  -1.540   1.539  0.00  0.00    -0.279 N 
ATOM     28  H   LIG    1       -5.210  -2.520   1.665  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -6.834  -1.659   3.298  0.00  0.00    -0.271 OA
ATOM     30  C   LIG    1       -8.066   0.515   1.453  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -4.783  -0.780   0.558  0.00  0.00    +0.080 A 
ATOM     32  C   LIG    1       -3.913  -1.415  -0.328  0.00  0.00    +0.032 A 
BRANCH  22  33
ATOM     33  O   LIG    1       -4.590   2.701  -0.498  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1       -3.919   3.505  -1.458  0.00  0.00    +0.277 C 
ENDBRANCH  22  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6